N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C24H23N5O2S — CID 41489007

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 41489007) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
• PubChem CID: 41489007
• Molecular Formula: C24H23N5O2S
• Molecular Weight: 445.55 g/mol
• Exact Mass: 445.16
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
• SMILES: O=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
• InChI: InChI=1S/C24H23N5O2S/c30-22(11-13-29-16-25-19-9-5-4-8-18(19)23(29)31)27-24-26-20-10-12-28(15-21(20)32-24)14-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,26,27,30)
• InChIKey: FLTYTUFZXXVEKL-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.55
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 41489007) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2.

What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?

The InChIKey is FLTYTUFZXXVEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-22(11-13-29-16-25-19-9-5-4-8-18(19)23(29)31)27-24-26-20-10-12-28(15-21(20)32-24)14-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,26,27,30).

What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 445.55 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 41489007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).